3,3-di(propan-2-yl)-2,4-dihydropyran

C11H20O — CID 58056082

IUPAC3,3-di(propan-2-yl)-2,4-dihydropyran
SMILESCC(C)C1(C(C)C)CC=COC1
InChIInChI=1S/C11H20O/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyOQTHHDCNJCDXRA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.22
Rot. Bonds2

About 3,3-di(propan-2-yl)-2,4-dihydropyran

3,3-di(propan-2-yl)-2,4-dihydropyran (PubChem CID 58056082) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-2,4-dihydropyran.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-2,4-dihydropyran
PubChem CID58056082
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,3-di(propan-2-yl)-2,4-dihydropyran
SMILESCC(C)C1(C(C)C)CC=COC1
InChIInChI=1S/C11H20O/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyOQTHHDCNJCDXRA-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-2,4-dihydropyran?
The IUPAC name of 3,3-di(propan-2-yl)-2,4-dihydropyran (CID 58056082) is 3,3-di(propan-2-yl)-2,4-dihydropyran.
What is the SMILES notation for 3,3-di(propan-2-yl)-2,4-dihydropyran?
The canonical SMILES for 3,3-di(propan-2-yl)-2,4-dihydropyran is CC(C)C1(C(C)C)CC=COC1.
What is the InChIKey of 3,3-di(propan-2-yl)-2,4-dihydropyran?
The InChIKey is OQTHHDCNJCDXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-2,4-dihydropyran?
3,3-di(propan-2-yl)-2,4-dihydropyran has a molecular weight of 168.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-2,4-dihydropyran is sourced from PubChem (CID 58056082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).